2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride

C15H30ClN3O3 — CID 119766819

IUPAC2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-21-10-9-16-12-15(20)18-8-7-17-14(19)11-13-5-3-2-4-6-13;/h13,16H,2-12H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyPXMHYYXMUFSHFH-UHFFFAOYSA-N
MW335.88 g/mol
LogP0.85
Rot. Bonds10

About 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride

2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride (PubChem CID 119766819) has the molecular formula C15H30ClN3O3 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
PubChem CID119766819
Molecular FormulaC15H30ClN3O3
Molecular Weight335.88 g/mol
Exact Mass335.20
IUPAC Name2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCNC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-21-10-9-16-12-15(20)18-8-7-17-14(19)11-13-5-3-2-4-6-13;/h13,16H,2-12H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyPXMHYYXMUFSHFH-UHFFFAOYSA-N
XLogP0.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
2-cyclohexyl-N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111407116
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
N-[(1R)-1-cycloheptylethyl]-2-(2-methoxyethylamino)acetamide
CID 81393093
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride (CID 119766819) is 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride is COCCNCC(=O)NCCNC(=O)CC1CCCCC1.Cl.
What is the InChIKey of 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride?
The InChIKey is PXMHYYXMUFSHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.ClH/c1-21-10-9-16-12-15(20)18-8-7-17-14(19)11-13-5-3-2-4-6-13;/h13,16H,2-12H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride?
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 0.85, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119766819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).